(4-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-pyrrolidinylsulfonyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-pyrrolidinosulfonylphenyl)-[4-(3-thenyl)piperazino]methanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C20H25N3O3S2/c24-20(22-12-10-21(11-13-22)15-17-7-14-27-16-17)18-3-5-19(6-4-18)28(25,26)23-8-1-2-9-23/h3-7,14,16H,1-2,8-13,15H2